CAS: 85118-04-3; 3,4-Difluorobenzamide

该化合物是一种氟化芳香氨化合物,其特点是在苯环的3和4个位置有两个氟替代物,这一结构特征增强了其作为有机合成,特别是在制药和农用化学应用中多种中间体的回活动性和实用性.氟原子的存在提高了代谢稳定性和亲脂性,使其对设计生物活性分子很有价值.其高纯度和定义明确的化学特性确保了混合反应和外生循环形成方面的一致性能.该化合物通常作为白晶状固体供应,在标准储存条件下保持稳定,便于处理和融入合成工作流程.

英文名称3,4-Difluorobenzamide
中文名称3,4-二氟苯甲酰胺
IUPAC名称3,4-difluorobenzamide
其它别名3,4-Difluorobenzamide; Benzamide, 3,4-Fluoro-; 2Ho; 3,4-Diflurobenzamide; 3,4-Difluorobenzamide #; 3,4-Difluorobenzamide, ; Cmwohnihubdeag-Uhfffaoysa-
CAS编号85118-04-3
MFCD编号:MFCD00015549
EINECS号:285-656-8
分子式:C7H5F2NO
分子量:157.12
产品CID: 1844910
产品分类化学试剂 → 有机试剂 → 酰胺

相似结构搜索
InChIKey: CMWOHNIHUBDEAG-UHFFFAOYSA-N
InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P261-P280a-P304+P340-P305+P351+P338-P405-P501a
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi
安全声明26-36-36/37
危险类别码36/37/38
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

64248-62-0 = 85118-04-3
反应条件:1.1 Reagents: Cesium Carbonate,1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: Cuprous Iodide Solvents: Nitromethane,Water; Rt; 1 H,100 °C
标题:Nitrile Hydration Reaction Using Copper Iodide/cesium Carbonate/dbu In Nitromethane-Water
作者:Kuwabara,Jun; Sawada,Yoshiharu; Yoshimatsu,Mitsuhiro
参考文献:Synlett 日期:2018 卷标:29(15) 页码:2061-2065]

72235-53-1 = 85118-04-3
反应条件:1.1 Reagents: Potassium Tert-Butoxide,Oxygen Catalysts: Carbonylchlorohydrotris(Triphenylphosphine)Ruthenium Solvents: Tert-Butanol; 12 H,70 °C
标题:Highly Selective Ruthenium-Catalyzed Direct Oxygenation Of Amines To Amides
作者:Ray,Ritwika; Hazari,Arijit Singha; Chandra,Shubhadeep; Maiti,Debabrata; Lahiri,Goutam Kumar
参考文献:Chemistry - A European Journal 日期:2018 卷标:24(5) 页码:1067-1071]

= 85118-04-3
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Water; 2 H,Rt
标题:Ring Opening/site Selective Cleavage In N-Acyl Glutarimide To Synthesize Primary Amides
作者:Govindan,Karthick; Lin,Wei-Yu
参考文献:Organic Letters 日期:2021 卷标:23(5) 页码:1600-1605]

64248-62-0 = 85118-04-3
反应条件:1.1 Reagents: Potassium Tert-Butoxide,Water Catalysts: (Oc-6-42)-Bromodicarbonyl[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Et... Solvents: 1,4-Dioxane; 16 H,110 °C
标题:Hydration Of Nitriles Enabled By Pnp-Manganese Pincer Catalyst
作者:Wen,Xiaoting; He,Jingxi; Xi,Hui; Zheng,Qi; Liu,Weiping
参考文献:Asian Journal Of Organic Chemistry 日期:2022 卷标:11(4)]

64248-62-0 = 85118-04-3
反应条件:1.1 Reagents: Cesium Carbonate,1,8-Diazabicyclo[5.4.0]Undec-7-Ene Catalysts: Cuprous Iodide Solvents: Nitromethane,Water; 2 H,100 °C
标题:Copper-Mediated Reactions Of Nitriles With Nitromethanes: Aza-Henry Reactions And Nitrile Hydrations
作者:Kuwabara,Jun; Sawada,Yoshiharu; Yoshimatsu,Mitsuhiro
参考文献:Organic Letters 日期:2018 卷标:20(4) 页码:1130-1133]

455-86-7 = 85118-04-3
反应条件:1.1 Reagents: Thionyl Chloride Solvents: Benzene1.2 Reagents: Ammonia Solvents: Water
标题:Aromatic Fluorine Chemistry. Part 1. 3,4-Difluorobenzoic Acid And Derivatives Via 3,4-Difluorobenzotrifluoride
作者:Pews,R. G.; Gall,J. A.; Little,J. C.
参考文献:Journal Of Fluorine Chemistry 日期:1990 卷标:50(3) 页码:365-70]

= 85118-04-3
反应条件:1.1 Reagents: Allyl Bromide Solvents: Methanol; 6 - 8 H,60 °C
标题:Unlocking Amides Through Selective C-N Bond Cleavage: Allyl Bromide-Mediated Divergent Synthesis Of Nitrogen-Containing Functional Groups
作者:Govindan,Karthick; Chen,Nian-Qi; Chuang,Yu-Wei; Lin,Wei-Yu
参考文献:Organic Letters 日期:2021 卷标:23(24) 页码:9419-9424]

= 85118-04-3
反应条件:1.1 Reagents: Oxygen Catalysts: Cuprous Chloride Solvents: Methanol; 12 H,Rt
标题:The Copper-Catalyzed Oxidative Radical Process Of Site Selective C-N Bond Cleavage In Twisted Amides: Batch And Continuous-Flow Chemistry
作者:Govindan,Karthick; Chen,Nian-Qi; Chen,Hsing-Yin; Hsu,Sodio C. N.; Lin,Wei-Yu
参考文献:Catalysis Science & Technology 日期:2023 卷标:13(6) 页码:1633-1639]

455-86-7 = 85118-04-3
反应条件:1.1 Reagents: Oxalyl Chloride1.2 Reagents: Ammonium Hydroxide Solvents: Dichloromethane; 0 °C; 3.5 H,Rt
标题:Synthesis,Antitumor Activity And Mechanism Of Action Of Novel 1,3-Thiazole Derivatives Containing Hydrazide-Hydrazone And Carboxamide Moiety
作者:He,Haifeng; Wang,Xiaoyan; Shi,Liqiao; Yin,Wenyan; Yang,Ziwen; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2016 卷标:26(14) 页码:3263-3270

4-氯三氯甲苯置于potassium Fluoride,Ammonium Hydroxide,氯化亚砜,Chlorosulphuric Acid,四苯基溴化膦体系中,用环丁砜,水,甲苯,乙腈,苯作为反应溶剂,120.0~210.0 °C,36.0 Kpa 条件下,反应 29.0H,反应生成 3,4-二氟苯甲酰胺
参考文献:氟化钾交换法通用高效合成间氟芳烃
标题:氟化钾交换法通用高效合成间氟芳烃
摘要:发现四苯基溴化鏻是一种合适的催化剂,用于在化学计量量的邻苯二甲酰氯存在下,使带有氰基,硝基,氯羰基,三氟甲基和氯磺酰基的间硝基芳基衍生物与氟化钾反应,得到相应的间氟芳烃衍生品收益非常好.还发现该催化剂通过使用反应蒸馏技术对间(氟磺酰基)芳基衍生物进行氟脱磺酰化以提供间氟芳烃是有效的.
DOI:10.1246/bcsj.63.2010

海关参考信息

2912110000-甲醛
2912210000-苯甲醛
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-6797820-B2
优先权日:1999-12-17
标题:Succinate compounds, compositions and methods of use and preparation
发明人：PATEL DINESH; JACOBS JEFFREY W; JAIN RAKESH; NI ZHI-JIE; YUAN ZHENGYU
权利人:VICURON PHARM INC
摘要:Novel hydroxamic acid compounds are disclosed. These hydroxamates inhibit peptidyl deformylase (PDF), an enzyme present in prokaryotes. The hydroxymates are useful as antimicrobials and antibiotics. The compounds of the invention display selective inhibition of peptidyl deformylase versus other metalloproteinases such as matrix metalloproteinases (MMPs). Methods of synthesis and of use of the compounds are also disclosed.

专利号:WO-0144179-A1
优先权日:1999-12-17
标题 :Novel succinate compounds, compositions and methods of use and preparation
发明人：JAIN RAKESH; NI ZHI-JIE; PATEL DINESH V; YUAN ZHENGYU
权利人:VERSICOR INC; JACOBS JEFFREY W; JAIN RAKESH; NI ZHI JIE; PATEL DINESH V; YUAN ZHENGYU
摘要:Novel hydroxamic acid compounds of Formula (I) are disclosed. These hydroxamates inhibit peptide deformylase (PDF), an enzyme present in prokaryotes. The hydroxymates are useful as antimicrobials and antibiotics. The compounds of the invention display selective inhibition of peptidyl deformylase versus other metalloproteinases such as matrix metalloproteinases (MMPs). Methods of synthesis and of use of the compounds are also disclosed.

专利号:US-9701686-B2
优先权日:2009-12-04
标题:Tricyclopyrazole derivatives
发明人：DISINGRINI TERESA; MANTEGANI SERGIO; VARASI MARIO
权利人:NERVIANO MEDICAL SCIENCES SRL
摘要:Compounds which are tricyclopyrazole derivatives or pharmaceutically acceptable salts thereof, their preparation process and pharmaceutical compositions comprising them are disclosed; these compounds are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, viral infection, prevention of AIDS development in HIV-infected individuals, cell proliferative disorders, autoimmune and neurodegenerative disorders; also disclosed is a process under Solid Phase Synthesis conditions for preparing the compounds of the invention and chemical libraries comprising a plurality of them.

其他信息查阅

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合成参考文献

参考文献:10.1055/s-0037-1609912
摘要:Yoshimatsu M, Kuwabara J, Sawada Y. Nitrile Hydration Reaction Using Copper Iodide/Cesium Carbonate/DBU in Nitromethane–Water. Synlett. 2018 Jul 23;29(15):2061–5. doi: 10.1055/s-0037-1609912.